Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSDAILGEQLAESSDFIAAIDQGTTSTRCMIFDHHGAEVARHQLEHEQILPRAGWVEHNPVEIWERTASVLISVLNATNLSPKDIAALGITNQRETTLVWNRHTGRPYYNAIVWQDTRTDRIASALDRDGRGNLIRRKAGLPPATYFSGGKLQWILENVDGVRAAAENGDALFGTPDTWVLWNLTGGPRGGVHVTDVTNASRTMLMDLETLDWDDELLSLFSIPRAMLPEIASSAPSEPYGVTLATGPVGGEVPITGVLGDQHAAMVGQVCLAPGEAKNTYGTGNFLLLNTGETIVRSNNGLLTTV-CYQFGNAKPVYALEGSIAVTGSAVQWLRDQLGIISGAAQSEALARQVPDNGGMYFVPAFSGLFAPYWRSDARGAIVGLSRFNTNAHLARATLEAICYQSRDVVDAMEADSGVRLQVLKVDGGITGNDLCMQIQADVLGVDVVRPVVAETTALGVAYAAGLAVGFWAAPSDLRANWREDKRWTPTWDDDERAAGYAGWRKAVQRTLDWVDVS |
3EZW Chain:B ((2-496)) | ------------EKKYIVALDQGTTSSRAVVMDHDANIISVSQREFEQIYPKPGWVEHDPMEIWATQSSTLVEVLAKADISSDQIAAIGITNQRETTIVWEKETGKPIYNAIVWQCRRTAEICEHLKRDGLEDYIRSNTGLVIDPYFSGTKVKWILDHVEGSRERARRGELLFGTVDTWLIWKMT---QGRVHVTDYTNASRTMLFNIHTLDWDDKMLEVLDIPREMLPEVRRS--SEVYGQTNI----GTRIPISGIAGDQQAALFGQLCVKEGMAKNTYGTGCFMLMNTGEKAVKSENGLLTTIACGPTGEVN--YALEGAVFMAGASIQWLRDEMKLINDAYDSEYFATKVQNTNGVYVVPAFTGLGAPYWDPYARGAIFGLTRGVNANHIIRATLESIAYQTRDVLEAMQADSGIRLHALRVDGGAVANNFLMQFQSDILGTRVERPEVREVTALGAAYLAGLAVGFWQNLDELQEKAVIEREFRPGIETTERNYRYAGWKKAVKRAMAW---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EZW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -236278 for 4655 contacts (-50.8/contact) +
2D Compatibility (PS) -52698 + (NN) -24212 + (LL) 888
1D Compatibility (HY) -48400 + (ID) 13000
Total energy: -373700.0 ( -80.28 by residue)
QMean score : 0.509
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